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DocumentationIdentifier: MM132033
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132033 |
| SMILES |
CC(C)(O)C(O)CC=O
|
| InChIKey |
SIBVVDHXFPINCX-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM241884
Similarity: 0.7719
Similarity to MM241884
| Tanimoto metric | 0.7719 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.8713 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132619
Similarity: 0.7156
Similarity to MM132619
| Tanimoto metric | 0.7156 |
|---|---|
| Cosine metric | 0.8357 |
| Dice metric | 0.8342 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221514
Similarity: 0.704
Similarity to MM221514
| Tanimoto metric | 0.704 |
|---|---|
| Cosine metric | 0.839 |
| Dice metric | 0.8263 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+327 more
